Consistency of empirical corrections of the classical nucleation theory for nucleation in steam with nucleation experiments and molecular simulations

0475731 - ÚT 2018 RIV CZ eng C - Konferenční příspěvek (zahraniční konf.)
Hrubý, Jan - Duška, Michal - Němec, Tomáš - Kolovratník, M.
Consistency of empirical corrections of the classical nucleation theory for nucleation in steam with nucleation experiments and molecular simulations.
Wet Stream Conference Prague 2016 - Proceedings. Praha: Česke vysoké učení technické, 2016 - (Kolovratník, M.; Bartoš, O.), s. 182-200. ISBN 978-80-01-5997-5.
[Wet Stream Conference Prague. Praha (CZ), 12.09.2016-14.09.2016]
Grant CEP: GA MŠMT(CZ) 7F14466; GA ČR(CZ) GA16-02647S
Grant ostatní: GA MŠk(CZ) LM2015042
Institucionální podpora: RVO:61388998
Klíčová slova: wet steam * water * nucleation
Obor OECD: Thermodynamics

We compare experimental nucleation rates for water vapour in various carrier gases, nucleation rates deduced from empirical adjustments of the classical nucleation theory (CNT) earlier developed to reproduce pressure and optical data for condensing steam flows in converging-diverging nozzles and turbine stages, and ucleation rates obtained from molecular simulations. Results of original molecular dynamic simulations for TIP4P/2005 force field in the NVE conditions are provided. New experimental nucleation rate data sets are generated based on empirical CNT corrections by Valha and Nedbal (1980) and by Petr and Kolovratník (2011). Correction of the CNT for non-isothermal nucleation conditions is applied to experimental, simulated and the derived experimental data. The derived experimental
nucleation rate data follow a similar temperature trend as the nucleation rate data for water vapour in carrier gases at lower temperatures. The ratio of observed nucleation rates to CNT predictions decreases more steeply with temperature than the empirical correction by Wölk et al. (2002). Ratios of nucleation rates computed from molecular simulations to CNT predictions do not show a significant temperature trend.
Trvalý link: http://hdl.handle.net/11104/0272410